General Information of the Compound
| Compound ID |
CP0377591
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| Compound Name |
N-(1H-benzimidazol-2-ylmethyl)-N-[[2,4-bis(aminomethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
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| Structure |
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| Formula |
C26H30N6
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| Molecular Weight |
426.568
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| Canonical SMILES |
NCc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc23)c(CN)c1
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| InChI |
InChI=1S/C26H30N6/c27-14-18-10-11-20(21(13-18)15-28)16-32(17-25-30-22-7-1-2-8-23(22)31-25)24-9-3-5-19-6-4-12-29-26(19)24/h1-2,4,6-8,10-13,24H,3,5,9,14-17,27-28H2,(H,30,31)
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| InChIKey |
MAJZBHXGPRNRPK-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound